SCHEMBL7059438

SCHEMBL7059438

N#CCc1cccc(NC(=O)Nc2csc(-c3ccccn3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.52
CDK5R1 Q15078 4/20 0.52
ADORA3 P0DMS8 3/20 0.39
PDE10A Q9Y233 1/20 0.39
NPC1 O15118 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
MAP3K7 O43318 1/20 0.37
MAP3K6 O95382 1/20 0.37
MAP3K5 Q99683 1/20 0.37
MRE11 P49959 1/20 0.36
RAB9A P51151 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PIM1 P11309 1/20 0.36
ADORA2B P29275 1/20 0.36
FLT3 P36888 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14558383 0.86 CDK5 (0.55) CDK5CDK5R1ADORA3PDE10ANPC1
SCHEMBL14558395 0.84 CDK5 (0.53) CDK5CDK5R1ADORA3PDE10ANPC1
SCHEMBL5347132 0.84 CDK5 (0.61) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL7061711 0.83 CDK5 (0.52) CDK5CDK5R1ADORA3PDE10ANPC1
SCHEMBL5338684 0.82 CDK5 (0.74) CDK5CDK5R1ADORA3PDE10ANPC1
SCHEMBL7120603 0.75 CDK5 (0.43) CDK5CDK5R1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7061875 0.73 CDK5 (0.57) CDK5CDK5R1ADORA2AADORA1CCNA2
SCHEMBL14558360 0.73 CDK5 (0.57) CDK5CDK5R1ADORA3PDE10ANPC1
SCHEMBL14558371 0.73 CDK5 (0.57) CDK5CDK5R1ADORA3PDE10ANPC1
SCHEMBL14558401 0.72 CDK5 (0.57) CDK5CDK5R1ADORA3PDE10ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed